1-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-sulfonamide

C22H29F2N5O4S — CID 44822176

IUPAC1-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nccc1CN(CCc1ccc(OC)c(OC)c1)S(=O)(=O)c1c(C)nn(C(F)F)c1C
InChIInChI=1S/C22H29F2N5O4S/c1-6-28-18(9-11-25-28)14-27(12-10-17-7-8-19(32-4)20(13-17)33-5)34(30,31)21-15(2)26-29(16(21)3)22(23)24/h7-9,11,13,22H,6,10,12,14H2,1-5H3
InChIKeyMHCVPLNCRKLLNT-UHFFFAOYSA-N
MW497.57 g/mol
LogP3.56
Rot. Bonds11

About 1-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-sulfonamide

1-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-sulfonamide (PubChem CID 44822176) has the molecular formula C22H29F2N5O4S and a molecular weight of 497.57 g/mol. Its IUPAC name is 1-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-sulfonamide.

Molecular Properties

Compound Name1-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
PubChem CID44822176
Molecular FormulaC22H29F2N5O4S
Molecular Weight497.57 g/mol
Exact Mass497.19
IUPAC Name1-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-sulfonamide
SMILESCCn1nccc1CN(CCc1ccc(OC)c(OC)c1)S(=O)(=O)c1c(C)nn(C(F)F)c1C
InChIInChI=1S/C22H29F2N5O4S/c1-6-28-18(9-11-25-28)14-27(12-10-17-7-8-19(32-4)20(13-17)33-5)34(30,31)21-15(2)26-29(16(21)3)22(23)24/h7-9,11,13,22H,6,10,12,14H2,1-5H3
InChIKeyMHCVPLNCRKLLNT-UHFFFAOYSA-N
XLogP3.56
TPSA91.48 Ų
H-Bond Donors
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms34
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500497.57
LogP ≤ 53.56
H-Bond Donors ≤ 50
H-Bond Acceptors ≤ 108

Analyze 1-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-sulfonamide with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Frequently Asked Questions

What is the IUPAC name of 1-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-sulfonamide?
The IUPAC name of 1-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-sulfonamide (CID 44822176) is 1-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-sulfonamide.
What is the SMILES notation for 1-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-sulfonamide?
The canonical SMILES for 1-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-sulfonamide is CCn1nccc1CN(CCc1ccc(OC)c(OC)c1)S(=O)(=O)c1c(C)nn(C(F)F)c1C.
What is the InChIKey of 1-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-sulfonamide?
The InChIKey is MHCVPLNCRKLLNT-UHFFFAOYSA-N. The full InChI is InChI=1S/C22H29F2N5O4S/c1-6-28-18(9-11-25-28)14-27(12-10-17-7-8-19(32-4)20(13-17)33-5)34(30,31)21-15(2)26-29(16(21)3)22(23)24/h7-9,11,13,22H,6,10,12,14H2,1-5H3.
What are the key properties of 1-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-sulfonamide?
1-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-sulfonamide has a molecular weight of 497.57 g/mol, XLogP of 3.56, 11 rotatable bonds, 0 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 1-(difluoromethyl)-N-[2-(3,4-dimethoxyphenyl)ethyl]-N-[(2-ethylpyrazol-3-yl)methyl]-3,5-dimethylpyrazole-4-sulfonamide is sourced from PubChem (CID 44822176), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).